N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine

C18H30N2O — CID 103532374

IUPACN-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(c1ccc(CC)cc1)C(C)N1CCC(OC)C1
InChIInChI=1S/C18H30N2O/c1-5-15-7-9-16(10-8-15)18(19-6-2)14(3)20-12-11-17(13-20)21-4/h7-10,14,17-19H,5-6,11-13H2,1-4H3
InChIKeyGGIDIRBQLWOMJV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine

N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103532374) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103532374
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(c1ccc(CC)cc1)C(C)N1CCC(OC)C1
InChIInChI=1S/C18H30N2O/c1-5-15-7-9-16(10-8-15)18(19-6-2)14(3)20-12-11-17(13-20)21-4/h7-10,14,17-19H,5-6,11-13H2,1-4H3
InChIKeyGGIDIRBQLWOMJV-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine (CID 103532374) is N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine is CCNC(c1ccc(CC)cc1)C(C)N1CCC(OC)C1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is GGIDIRBQLWOMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15-7-9-16(10-8-15)18(19-6-2)14(3)20-12-11-17(13-20)21-4/h7-10,14,17-19H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine?
N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103532374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).